Receptor
PDB id Resolution Class Description Source Keywords
3UJC 1.19 Å EC: 2.1.1.103 PHOSPHOETHANOLAMINE METHYLTRANSFERASE MUTANT (H132A) FROM PL FALCIPARUM IN COMPLEX WITH PHOSPHOCHOLINE PLASMODIUM FALCIPARUM PLASMODIUM PARASITE METHYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE AND REACTION MECHANISM OF PHOSPHOETHANOLA METHYLTRANSFERASE FROM THE MALARIA PARASITE PLASMOD FALCIPARUM: AN ANTIPARASITIC DRUG TARGET. J.BIOL.CHEM. V. 287 1426 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC A:301;
Valid;
none;
Kd = 26 uM
184.151 C5 H15 N O4 P C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R6W 1.59 Å EC: 2.1.1.103 PLASMODIUM FALCIPARUM PHOSPHOETHANOLAMINE METHYLTRANSFERASE MUTANT IN COMPLEX WITH S-ADENOSYLHOMOCYSTEINE AND PHOSPHOCH PLASMODIUM FALCIPARUM METHYLTRANSFERASE TRANSFERASE
Ref.: AN ALTERNATIVE MECHANISM FOR THE METHYLATION OF PHOSPHOETHANOLAMINE CATALYZED BY PLASMODIUM FALCIPA PHOSPHOETHANOLAMINE METHYLTRANSFERASE. J.BIOL.CHEM. V. 289 33815 2014
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R6W Kd = 5.4 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4FGZ ic50 = 1350 uM CQA C20 H22 Cl N3 O CCN(CC)Cc1....
3 3UJ8 - SFG C15 H23 N7 O5 c1nc(c2c(n....
4 3UJA - OPE C2 H8 N O4 P C(COP(=O)(....
5 3UJ6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
6 3UJ7 - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3UJD Kd = 20.2 uM PC C5 H15 N O4 P C[N+](C)(C....
8 3UJC Kd = 26 uM PC C5 H15 N O4 P C[N+](C)(C....
9 3UJ9 Kd = 23.4 uM PC C5 H15 N O4 P C[N+](C)(C....
10 3UJB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R6W Kd = 5.4 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4FGZ ic50 = 1350 uM CQA C20 H22 Cl N3 O CCN(CC)Cc1....
3 3UJ8 - SFG C15 H23 N7 O5 c1nc(c2c(n....
4 3UJA - OPE C2 H8 N O4 P C(COP(=O)(....
5 3UJ6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
6 3UJ7 - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3UJD Kd = 20.2 uM PC C5 H15 N O4 P C[N+](C)(C....
8 3UJC Kd = 26 uM PC C5 H15 N O4 P C[N+](C)(C....
9 3UJ9 Kd = 23.4 uM PC C5 H15 N O4 P C[N+](C)(C....
10 3UJB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R6W Kd = 5.4 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4FGZ ic50 = 1350 uM CQA C20 H22 Cl N3 O CCN(CC)Cc1....
3 3UJ8 - SFG C15 H23 N7 O5 c1nc(c2c(n....
4 3UJA - OPE C2 H8 N O4 P C(COP(=O)(....
5 3UJ6 - SAM C15 H22 N6 O5 S C[S@@+](CC....
6 3UJ7 - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 3UJD Kd = 20.2 uM PC C5 H15 N O4 P C[N+](C)(C....
8 3UJC Kd = 26 uM PC C5 H15 N O4 P C[N+](C)(C....
9 3UJ9 Kd = 23.4 uM PC C5 H15 N O4 P C[N+](C)(C....
10 3UJB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R6W; Ligand: SAH; Similar sites found: 354
This union binding pocket(no: 1) in the query (biounit: 4r6w.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3JUT GTQ 0.009225 0.42042 None
2 3LCV SAM 0.0003821 0.40743 None
3 4C3Y ANB 0.003558 0.41195 1.55039
4 4C3Y FAD 0.002723 0.41169 1.55039
5 2WPB ZZI 0.04643 0.40261 1.55039
6 2PWY SAH 0.00006799 0.42738 1.93798
7 1DMR PGD 0.01167 0.40446 1.93798
8 5J60 FAD 0.004888 0.40099 1.93798
9 2ZWA SAH 0.00001996 0.44251 2.32558
10 3SQP FAD 0.03902 0.40954 2.32558
11 2RAB NAD 0.01013 0.40636 2.32558
12 4USQ FAD 0.002773 0.40366 2.32558
13 4D7E FAD 0.003668 0.40146 2.32558
14 2Y91 98J 0.0147 0.41772 2.64151
15 3G2O SAM 0.0000006539 0.60175 2.71318
16 3S1S SAH 0.00003999 0.50056 2.71318
17 4PIO SAH 0.0002183 0.44465 2.71318
18 4PIO AVI 0.0002349 0.44206 2.71318
19 5JCM NAD 0.004263 0.42101 2.71318
20 5JCM ISD 0.004263 0.42101 2.71318
21 5JCM FAD 0.004106 0.42101 2.71318
22 3HYW DCQ 0.02613 0.41543 2.71318
23 2V3V MGD 0.009179 0.41107 2.71318
24 4BV6 FAD 0.003002 0.41007 2.71318
25 5KMS FAD 0.002987 0.40481 2.71318
26 5MZI FYK 0.01024 0.40299 2.71318
27 5MZI FAD 0.009851 0.40299 2.71318
28 4YMH SAH 0.0001086 0.42423 2.91667
29 5MX4 HPA 0.02117 0.42249 3.00429
30 5N53 8NB 0.02862 0.41454 3.07692
31 3X0D SAH 0.000001683 0.45892 3.10078
32 3TLJ SAH 0.000428 0.45716 3.10078
33 2A14 SAH 0.0000175 0.44801 3.10078
34 5BVA FAD 0.0006598 0.43838 3.10078
35 2O07 MTA 0.0009812 0.42904 3.10078
36 2EFJ SAH 0.0000172 0.42321 3.10078
37 2HZL PYR 0.02 0.42176 3.10078
38 2O07 SPD 0.001438 0.41691 3.10078
39 2YVF NAD 0.00524 0.41539 3.10078
40 2YVF FAD 0.005215 0.41478 3.10078
41 1JQ3 AAT 0.0009058 0.41465 3.10078
42 3F8D FAD 0.009686 0.40895 3.10078
43 4YRY NAD 0.006307 0.40713 3.10078
44 2CDU FAD 0.002696 0.40647 3.10078
45 4X9M FAD 0.003513 0.40646 3.10078
46 2RGO FAD 0.002947 0.40616 3.10078
47 3CTY FAD 0.005728 0.40215 3.10078
48 4YRY FAD 0.005266 0.40171 3.10078
49 2YVJ NAI 0.01653 0.4012 3.10078
50 5MBX FAD 0.009701 0.40045 3.10078
51 5MBX SP5 0.009701 0.40045 3.10078
52 4XUC 43G 0.0001839 0.44741 3.21101
53 4XUC SAM 0.0001839 0.44741 3.21101
54 1UAY ADN 0.0005743 0.4819 3.30579
55 2EG5 SAH 0.00003021 0.54393 3.48837
56 3VYW SAM 0.0004195 0.4654 3.48837
57 5F2K SAH 0.00006036 0.46231 3.48837
58 5F2K OCA 0.00006036 0.46231 3.48837
59 1SQF SAM 0.001259 0.45225 3.48837
60 5XVK SAH 0.00001987 0.44868 3.48837
61 2EJU SAH 0.00001962 0.42088 3.48837
62 5BW4 SAM 0.00003261 0.41581 3.48837
63 4ONQ SFG 0.00009184 0.40523 3.48837
64 5CUQ NSC 0.002788 0.40108 3.48837
65 3KYQ DPV 0.04402 0.40387 3.51759
66 3G89 SAM 0.0000003925 0.63541 3.61446
67 3HVJ 705 0.0003626 0.44038 3.61991
68 3GEG NAD 0.0009049 0.40441 3.64372
69 5FA8 SAM 0.00001264 0.45143 3.72671
70 4UYG 73B 0.03755 0.40916 3.82166
71 5JJR SAH 0.0005257 0.46951 3.87597
72 5ULP KB1 0.0000788 0.4294 3.87597
73 3P9C SAH 0.0005173 0.428 3.87597
74 3K8L CEY 0.0101 0.42378 3.87597
75 1XHC FAD 0.001348 0.41776 3.87597
76 4K5S FAD 0.0009641 0.4141 3.87597
77 1GPE FAD 0.003355 0.41205 3.87597
78 1ELI PYC 0.002212 0.41196 3.87597
79 1PN0 IPH 0.004038 0.41155 3.87597
80 1PN0 FAD 0.003839 0.41155 3.87597
81 4J36 1HR 0.003135 0.41132 3.87597
82 4J36 FAD 0.002023 0.4075 3.87597
83 4YNU FAD 0.004873 0.40486 3.87597
84 4YNU LGC 0.007481 0.40106 3.87597
85 3LEV ATP 0.02376 0.41612 3.91061
86 3A25 SAM 0.00007906 0.50697 4.26357
87 2P41 SAH 0.0002414 0.4849 4.26357
88 3TKY SAH 0.000002165 0.4614 4.26357
89 1Y8Q ATP 0.0002884 0.46057 4.26357
90 3C6K MTA 0.0002649 0.44421 4.26357
91 3C6K SPD 0.0002649 0.44421 4.26357
92 2ZZV LAC 0.01622 0.42471 4.26357
93 4YAG NAI 0.002125 0.41683 4.26357
94 2WET FAD 0.004113 0.40485 4.26357
95 2XVE FAD 0.01066 0.40228 4.26357
96 5HJM MTA 0.0001169 0.49436 4.65116
97 3GXO SAH 0.000447 0.48211 4.65116
98 2QA1 FAD 0.0004138 0.41899 4.65116
99 4BLW AMP 0.001156 0.41777 4.65116
100 1N4W FAD 0.00271 0.41375 4.65116
101 3GWZ SAH 0.00004788 0.40914 4.65116
102 1WG8 SAM 0.000336 0.40866 4.65116
103 4BLW SAH 0.0006009 0.40803 4.65116
104 4XNV BUR 0.04537 0.40425 4.65116
105 3FRH SAH 0.00007063 0.43092 4.74308
106 5N5D SAM 0.00004001 0.41959 4.86726
107 3U31 NAD 0.002532 0.42785 5.03876
108 4D04 NAP 0.003537 0.42296 5.03876
109 4D04 FAD 0.003537 0.42296 5.03876
110 1D4D FAD 0.001782 0.42075 5.03876
111 3QVP FAD 0.003171 0.41113 5.03876
112 5O4J 9KH 0.002221 0.40724 5.03876
113 5O4J SAH 0.002221 0.40724 5.03876
114 5O4J PJL 0.002531 0.4039 5.03876
115 1WY7 SAH 0.0001688 0.40913 5.31401
116 5X62 SAH 0.0000008538 0.45629 5.42636
117 3BGD SAH 0.0000352 0.43871 5.42636
118 3BGD PM6 0.0001493 0.43433 5.42636
119 2BRY FAD 0.0007679 0.42305 5.42636
120 2FKA BEF 0.01633 0.42228 5.42636
121 1H82 GZZ 0.003542 0.42224 5.42636
122 1H82 FAD 0.00287 0.42224 5.42636
123 4TXI FAD 0.00107 0.41638 5.42636
124 1I1N SAH 0.00005791 0.4465 5.75221
125 3A4T SFG 0.00001339 0.52561 5.81395
126 4LWP SAH 0.000001272 0.45399 5.81395
127 4MOP 2H5 0.005243 0.40953 5.81395
128 3ICS FAD 0.002662 0.40892 5.81395
129 3ICR FAD 0.002941 0.40619 5.81395
130 3ICT FAD 0.003726 0.40232 5.81395
131 2BZG SAH 0.00002326 0.42808 6.03448
132 4IWN GEK 0.0000001824 0.50803 6.11354
133 4RDH AMP 0.001246 0.46098 6.20155
134 3GU3 SAH 0.000002964 0.4201 6.20155
135 2C7G FAD 0.004108 0.41604 6.20155
136 4CNK FAD 0.002961 0.40717 6.20155
137 2C7G ODP 0.008597 0.40254 6.20155
138 3G5S FAD 0.0008753 0.40069 6.20155
139 2HJR APR 0.009534 0.40028 6.20155
140 2ZFU SAH 0.0000007119 0.47574 6.51163
141 4DMG SAM 0.001162 0.47196 6.58915
142 4C4A SAH 0.0000006418 0.46875 6.58915
143 2AQJ FAD 0.003505 0.42101 6.58915
144 2AQJ TRP 0.003361 0.42101 6.58915
145 1OBB NAD 0.003015 0.41836 6.58915
146 2E5V FAD 0.002641 0.41418 6.58915
147 4FWE FAD 0.003696 0.40857 6.58915
148 4GUT FAD 0.004732 0.40714 6.58915
149 5G3U FDA 0.003408 0.40487 6.58915
150 1RYI FAD 0.004346 0.40393 6.58915
151 5U8U FAD 0.01365 0.40046 6.58915
152 3OQJ 3CX 0.03963 0.40636 6.61479
153 2HMT NAI 0.0002948 0.40397 6.94444
154 3A27 SAM 0.0001492 0.49441 6.97674
155 1DL5 SAH 0.00002812 0.45311 6.97674
156 2PT9 2MH 0.0002626 0.44167 6.97674
157 1V6A TRE 0.01363 0.43221 6.97674
158 2PT9 S4M 0.00009294 0.43168 6.97674
159 2I7C AAT 0.0003844 0.42812 6.97674
160 5I39 FAD 0.002068 0.41307 6.97674
161 5JCA NDP 0.008647 0.40661 6.97674
162 2R4J 13P 0.008219 0.40182 6.97674
163 3P2E SAH 0.0005284 0.46101 7.11111
164 1RJD SAM 0.000006773 0.45226 7.36434
165 1P77 ATR 0.00715 0.44643 7.36434
166 2ZIF SAM 0.00001975 0.42702 7.36434
167 4FZV SAM 0.0001327 0.4066 7.36434
168 2V3A FAD 0.003687 0.40357 7.36434
169 5TTJ FAD 0.004291 0.40213 7.36434
170 3ZNN 4WL 0.01002 0.40133 7.36434
171 3ZNN FAD 0.01002 0.40133 7.36434
172 2V3B FAD 0.003981 0.40124 7.36434
173 3WGT FAD 0.007578 0.40002 7.36434
174 3FZG SAM 0.00008517 0.51628 7.5
175 1G8K MGD 0.01183 0.4048 7.5188
176 2HNK SAH 0.0002558 0.40356 7.53138
177 1LVL NAD 0.00108 0.44743 7.75194
178 3UOY NAP 0.00222 0.43385 7.75194
179 3UOY FAD 0.00222 0.43385 7.75194
180 3PT9 SAH 0.000005858 0.43383 7.75194
181 5BUK FAD 0.0009001 0.43318 7.75194
182 2YVK MRU 0.01697 0.40375 7.75194
183 3KO0 TFP 0.04929 0.40267 7.92079
184 1XCL SAH 0.0001831 0.44459 8.08511
185 1N2X SAM 0.002108 0.42797 8.13953
186 1ZMD NAI 0.001708 0.42547 8.13953
187 1Q9I TEO 0.002834 0.42322 8.13953
188 1FP1 SAH 0.0000141 0.42073 8.13953
189 3SSO SAH 0.002184 0.41432 8.13953
190 1REO FAD 0.003072 0.40764 8.13953
191 1G60 SAM 0.0001706 0.40025 8.13953
192 1L3I SAH 0.00005155 0.44374 8.33333
193 4GQB 0XU 0.00004263 0.43725 8.52713
194 5FA5 MTA 0.00002074 0.40919 8.52713
195 2YX1 SFG 0.000015 0.40565 8.52713
196 1SQL GUN 0.03041 0.41369 8.90411
197 2OBF SAH 0.0000164 0.49774 8.91473
198 2OBF F83 0.0000164 0.49774 8.91473
199 4X60 SFG 0.00009289 0.42304 8.91473
200 4X60 3XV 0.00009369 0.41906 8.91473
201 1P31 EPU 0.01483 0.40336 8.91473
202 2HQM FAD 0.004881 0.40297 8.91473
203 5XVQ SAH 0.00001563 0.51774 9.30233
204 4RVG SAM 0.000006461 0.45289 9.30233
205 4RVG TYD 0.000006792 0.44431 9.30233
206 1RSG FAD 0.003005 0.41106 9.30233
207 3IHG FAD 0.001225 0.40492 9.30233
208 1YY5 FAD 0.005322 0.40338 9.30233
209 2VDV SAM 0.000001907 0.60212 9.34959
210 1E1M FAD 0.008008 0.40302 9.68992
211 3H2B SAH 0.0000005137 0.47618 9.85222
212 3GDH SAH 0.00006495 0.48736 9.95851
213 3GRU AMP 0.000009429 0.45742 10.0775
214 4RPL FAD 0.01239 0.40155 10.0775
215 3ML1 MGD 0.007541 0.414 10.3704
216 3BXO SAM 0.000001431 0.4377 10.4603
217 3PFG TLO 0.000002369 0.47044 10.4651
218 3UCL CYH 0.003376 0.42513 10.4651
219 3UCL NAP 0.003768 0.42513 10.4651
220 3UCL FAD 0.003376 0.42513 10.4651
221 3PFG SAM 0.01329 0.41108 10.4651
222 1VBO MAN MAN MAN 0.03965 0.4043 10.7383
223 3M6W SAM 0.002173 0.4495 10.8527
224 3QOX SAH 0.0000241 0.44087 10.8527
225 4EUE NAI 0.002063 0.40589 10.8527
226 4NEC SAH 0.000007889 0.56531 11.2403
227 1JQD HSM 0.0001309 0.46706 11.2403
228 1JQD SAH 0.00007339 0.466 11.2403
229 2AOT SAH 0.00001145 0.42116 11.2403
230 1QO8 FAD 0.001868 0.41897 11.2403
231 1QXO EPS 0.0265 0.41714 11.2403
232 2GAG FAD 0.003301 0.41232 11.2403
233 2GAG FOA 0.005413 0.40399 11.2403
234 2GAG NAD 0.003512 0.40329 11.2403
235 3DMH SAM 0.000003506 0.55632 11.6279
236 3DMH GMP 0.0000243 0.49212 11.6279
237 4AZT SAM 0.00002112 0.42596 11.6279
238 4AZW SAM 0.00003623 0.42583 11.6279
239 1UWK NAD 0.006187 0.40174 11.6279
240 3EGI ADP 0.000003879 0.62076 11.6505
241 4YSX FAD 0.001439 0.42122 11.7021
242 1F3L SAH 0.0000009334 0.57527 12.0155
243 1ZQ9 SAM 0.00003324 0.5241 12.0155
244 4MIG G3F 0.002851 0.41746 12.0155
245 1NV8 SAM 0.0001668 0.43471 12.4031
246 1NV8 MEQ 0.0007256 0.4087 12.4031
247 1G55 SAH 0.0001165 0.49441 12.7907
248 2JJQ SAH 0.000756 0.47611 12.7907
249 3GD4 NAD 0.005583 0.42112 12.7907
250 3S5W FAD 0.0009501 0.41501 12.7907
251 3GD4 FAD 0.005674 0.41191 12.7907
252 3JWH SAH 0.000002559 0.43379 12.9032
253 3MB5 SAM 0.00007207 0.48977 12.9412
254 3AD8 PYC 0.007801 0.41098 13.1313
255 3AD8 FAD 0.007801 0.41098 13.1313
256 5MW4 5JU 0.0005002 0.43867 13.5659
257 5FJN BE2 0.002135 0.41965 13.5659
258 5FJN FAD 0.001807 0.41952 13.5659
259 1XDS SAM 0.00002077 0.55182 13.6364
260 3FUU ADN 0.000006488 0.55038 13.9535
261 2VPY MGD 0.0133 0.40031 14.3411
262 4AP3 NAP 0.003153 0.42357 14.7287
263 4AP3 FAD 0.003153 0.42357 14.7287
264 1I9G SAM 0.00005177 0.42099 14.7287
265 5GWX SAR 0.0000269 0.45837 14.7887
266 5GWX SAM 0.0000269 0.45837 14.7887
267 1LSS NAD 0.0001128 0.41079 15
268 3NDJ SAH 0.00001696 0.50209 15.1163
269 3NDJ JHZ 0.00001696 0.50209 15.1163
270 4TM3 FAD 0.01024 0.40736 15.5039
271 1U2Z SAH 0.00006183 0.42727 15.8915
272 3CGD COA 0.006342 0.4205 15.8915
273 3CGD NAD 0.006342 0.4205 15.8915
274 3CGD FAD 0.006342 0.4205 15.8915
275 3DUW SAH 0.00008128 0.41249 16.1435
276 3FPF MTA 0.0004195 0.40208 16.2791
277 3FPF TNA 0.0004195 0.40208 16.2791
278 3O7W SAM 0.000001522 0.43529 17.0543
279 4OPC PGT 0.02543 0.40494 17.0543
280 4OPC FDA 0.02306 0.40397 17.0543
281 3I53 SAH 0.0000109 0.44585 17.1687
282 3LST SAH 0.00001272 0.56215 17.4419
283 4Y2H SAH 0.000008182 0.50519 17.4419
284 4Y2H 49K 0.00001262 0.49807 17.4419
285 3KLJ FAD 0.001851 0.40892 17.4419
286 1JG3 ADN 0.00002084 0.53332 17.4468
287 2PXX SAH 0.000008061 0.44234 17.6744
288 5T67 JHZ 0.00003592 0.4883 17.8295
289 5T67 SAH 0.00006775 0.47169 17.8295
290 1QAN SAH 0.000004387 0.46186 18.0328
291 3OFK SAH 0.000003309 0.55168 18.0556
292 5DNK SAH 0.0000001544 0.44275 18.2171
293 4E70 N7I 0.0005794 0.43191 18.2171
294 5E72 SAM 0.00004715 0.42741 18.2171
295 3VC1 SAH 0.000000008146 0.62074 18.6047
296 3VC1 GST 0.000000008146 0.54677 18.6047
297 4M38 SAH 0.000008817 0.5388 18.6047
298 4M37 SAH 0.000008324 0.43997 18.6047
299 5F8F SFG 0.000008958 0.42864 18.6047
300 4UYF 73B 0.03964 0.4086 18.8312
301 4QTU SAM 0.00000006241 0.64036 19.2308
302 2FK8 SAM 0.00000007 0.6307 19.3798
303 1ZBQ NAD 0.002276 0.40022 19.3798
304 4A6D SAM 0.00003513 0.51765 20.155
305 5E9W SAH 0.000001456 0.42469 20.155
306 3DXY SAM 0.000001375 0.61714 20.1835
307 4OBW SAM 0.00002564 0.52923 20.6226
308 5DXA SFG 0.00001243 0.52194 20.9302
309 5DX8 SFG 0.00001118 0.45135 20.9302
310 5DX1 SFG 0.00002317 0.45111 20.9302
311 5DWQ SFG 0.00001694 0.45067 20.9302
312 5DX0 SFG 0.00002978 0.4476 20.9302
313 1VE3 SAM 0.00000112 0.59111 21.5859
314 4PNE SAH 0.00000001735 0.54452 21.7054
315 4M73 SAH 0.000002812 0.51811 21.7054
316 4M73 M72 0.00001588 0.45837 21.7054
317 4KRG SAH 0.000002787 0.44584 21.7054
318 4KIB SAH 0.000005738 0.43283 21.7054
319 5JE0 SAH 0.000007156 0.4923 21.8623
320 5JE0 AZ8 0.000007156 0.4923 21.8623
321 1IM8 SAI 0.00000003598 0.64334 22.541
322 5DLY SAH 0.00001428 0.49318 22.8682
323 5DLY 5D7 0.00001698 0.49318 22.8682
324 3T7S SAM 0.0000001639 0.48589 22.8682
325 4YUW 4JU 0.002967 0.44386 23.2558
326 4YUW S4M 0.002895 0.44386 23.2558
327 5DM1 5D7 0.0000006836 0.54603 23.6434
328 5DM1 SAH 0.00000062 0.54603 23.6434
329 5KOK S9T 0.000001172 0.5289 23.6434
330 5KOK R9T 0.000004764 0.50461 23.6434
331 5KOK SAH 0.00000006916 0.50271 23.6434
332 5JGL SAM 0.0001129 0.40877 23.6434
333 2NXE SAM 0.00001127 0.54547 24.0157
334 3EGV SAH 0.00002298 0.53718 24.0157
335 1Z3C SA8 0.00001518 0.47513 24.031
336 1XTP SAI 0.000003084 0.4487 24.4094
337 3LCC SAH 0.000002803 0.45227 25.5319
338 5MGZ SAH 0.0000007075 0.47525 25.5814
339 5E1M PRO PRO LYS ARG ILE ALA 0.00002177 0.4818 27.3859
340 5E1M SAH 0.00002177 0.4818 27.3859
341 2XVM SAH 0.0000007298 0.44677 27.6382
342 5THY SAH 0.00001679 0.44218 28.2946
343 5MPT SAH 0.00003575 0.42246 28.2946
344 1KPG SAH 0.00000002514 0.64267 29.4574
345 1TPY SAH 0.00000004967 0.52217 29.4574
346 1KPG 16A 0.02656 0.40087 29.4574
347 1L1E SAH 0.00000005967 0.51111 29.845
348 5THZ SAH 0.00002659 0.44674 29.845
349 1R18 SAH 0.00005171 0.42455 29.9559
350 1KPH SAH 0.00000003212 0.52809 30.2326
351 5M58 SAH 0.000003264 0.45578 30.8696
352 5E8J SAH 0.000001523 0.60686 31.8182
353 3OU2 SAH 0.00001769 0.50618 32.5688
354 5GM1 SAH 0.000000007255 0.55744 37.2093
Pocket No.: 2; Query (leader) PDB : 4R6W; Ligand: PC; Similar sites found: 144
This union binding pocket(no: 2) in the query (biounit: 4r6w.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NTA FAD 0.003851 0.40218 1.56794
2 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01506 0.4535 2.32558
3 3JUC PCA 0.03862 0.42863 2.61438
4 3G2O SAM 0.000002591 0.60175 2.71318
5 3S1S SAH 0.0001338 0.50118 2.71318
6 5VN0 NAI 0.007188 0.41569 2.71318
7 5VN0 FAD 0.002936 0.40645 2.71318
8 5WGR FAD 0.002646 0.40414 2.71318
9 1NF8 BOG 0.003983 0.48847 2.89855
10 3TLJ SAH 0.001276 0.45734 3.10078
11 2O07 MTA 0.002127 0.43542 3.10078
12 2O07 SPD 0.002677 0.42598 3.10078
13 2HZL PYR 0.03853 0.42176 3.10078
14 1JQ3 AAT 0.002529 0.41966 3.10078
15 2YVJ NAI 0.03505 0.40253 3.10078
16 3TL1 JRO 0.03064 0.42897 3.14465
17 1UAY ADN 0.001484 0.4819 3.30579
18 2EG5 SAH 0.00009343 0.5433 3.48837
19 3VYW SAM 0.001257 0.46473 3.48837
20 1SQF SAM 0.003181 0.45303 3.48837
21 4LH7 1X8 0.04835 0.41574 3.48837
22 3G89 SAM 0.000001474 0.63541 3.61446
23 5JJR SAH 0.001236 0.47282 3.87597
24 3P9C SAH 0.0002358 0.46264 3.87597
25 4K5S FAD 0.002439 0.42028 3.87597
26 5AHS FAD 0.02653 0.40568 3.87597
27 3AB1 FAD 0.002505 0.40498 3.87597
28 3LEV ATP 0.0429 0.41612 3.91061
29 3A25 SAM 0.0001123 0.52296 4.26357
30 2P41 SAH 0.0006052 0.48775 4.26357
31 1Y8Q ATP 0.00091 0.46047 4.26357
32 2ZZV LAC 0.03102 0.42471 4.26357
33 5V4R MGT 0.03364 0.43758 4.32099
34 5HJM MTA 0.0003394 0.49537 4.65116
35 3GXO SAH 0.001132 0.48326 4.65116
36 2QA1 FAD 0.001539 0.42328 4.65116
37 3U31 NAD 0.006733 0.42785 5.03876
38 1JGS SAL 0.009502 0.4375 5.07246
39 4RW3 SHV 0.01963 0.45394 5.42636
40 4RW3 PLM 0.01856 0.42683 5.42636
41 2FKA BEF 0.03003 0.42228 5.42636
42 1A5Z NAD 0.01618 0.4104 5.42636
43 3A4T SFG 0.00005087 0.52456 5.81395
44 2VWA PTY 0.04777 0.40774 5.94059
45 4UCC ZKW 0.03684 0.4321 6.00858
46 4IWN GEK 0.0000006515 0.40258 6.11354
47 4RDH AMP 0.003257 0.46026 6.20155
48 1TV5 N8E 0.009414 0.45792 6.20155
49 3G5S FAD 0.004201 0.40276 6.20155
50 2HJR APR 0.02155 0.40218 6.20155
51 4DMG SAM 0.002571 0.4742 6.58915
52 1OBB NAD 0.007441 0.42025 6.58915
53 2IVD FAD 0.004196 0.40478 6.58915
54 3A27 SAM 0.0003685 0.49812 6.97674
55 2I7C AAT 0.001079 0.43404 6.97674
56 1V6A TRE 0.02728 0.43221 6.97674
57 1VQW FAD 0.003827 0.41267 6.97674
58 2GV8 FAD 0.003731 0.4109 6.97674
59 3P2E SAH 0.001801 0.45747 7.11111
60 3TDC 0EU 0.04499 0.44654 7.36434
61 1P77 ATR 0.01506 0.44643 7.36434
62 3FZG SAM 0.00006908 0.54408 7.5
63 1GXU 2HP 0.03627 0.40408 7.69231
64 1LVL NAD 0.002574 0.45028 7.75194
65 1XCL SAH 0.0005827 0.44716 8.08511
66 1ZMD NAI 0.001426 0.44871 8.13953
67 1N2X SAM 0.005138 0.43022 8.13953
68 2WR1 NAG 0.001344 0.48413 8.52713
69 4X60 SFG 0.0002426 0.44312 8.91473
70 4X60 3XV 0.0002591 0.43967 8.91473
71 2OBF F83 0.00003758 0.42495 8.91473
72 2OBF SAH 0.00003758 0.42495 8.91473
73 1P31 EPU 0.02387 0.41069 8.91473
74 2PSM BAM 0.009289 0.42804 9.09091
75 5XVQ SAH 0.00005667 0.51788 9.30233
76 4RVG SAM 0.00006104 0.45911 9.30233
77 4RVG TYD 0.00006988 0.45198 9.30233
78 5OCA 9QZ 0.02979 0.44178 9.30233
79 4URN NOV 0.04384 0.4201 9.33333
80 2VDV SAM 0.000006335 0.60304 9.34959
81 3GDH SAH 0.000196 0.48981 9.95851
82 1RYO OXL 0.02656 0.42065 10.0775
83 3PFG TLO 0.00001014 0.48921 10.4651
84 3M6W SAM 0.004898 0.45137 10.8527
85 4NEC SAH 0.00002602 0.56531 11.2403
86 1JQD SAH 0.000106 0.48294 11.2403
87 1JQD HSM 0.0002935 0.47488 11.2403
88 1QXO EPS 0.04695 0.41925 11.2403
89 3DMH SAM 0.00001258 0.55747 11.6279
90 3DMH GMP 0.00007426 0.49647 11.6279
91 3EGI ADP 0.00001166 0.62076 11.6505
92 1F3L SAH 0.000003342 0.57842 12.0155
93 1ZQ9 SAM 0.0001064 0.5241 12.0155
94 1G55 SAH 0.0003289 0.49602 12.7907
95 2JJQ SAH 0.001926 0.47611 12.7907
96 1J78 OLA 0.01084 0.41831 12.7907
97 3MB5 SAM 0.0002303 0.49062 12.9412
98 1XDS SAM 0.00006363 0.55182 13.6364
99 3FUU ADN 0.00002324 0.55038 13.9535
100 3NDJ JHZ 0.0001056 0.41965 15.1163
101 3NDJ SAH 0.0001056 0.41965 15.1163
102 3CGB FAD 0.003829 0.40424 15.1163
103 3FPF TNA 0.001228 0.41799 16.2791
104 3FPF MTA 0.001228 0.41799 16.2791
105 3LZW FAD 0.003719 0.40273 16.6667
106 3LST SAH 0.00003689 0.56392 17.4419
107 4Y2H SAH 0.00006757 0.40768 17.4419
108 4Y2H 49K 0.0001127 0.40178 17.4419
109 1JG3 ADN 0.00006842 0.53332 17.4468
110 5T67 JHZ 0.0002142 0.40736 17.8295
111 3OFK SAH 0.000009707 0.55733 18.0556
112 4E70 N7I 0.0008509 0.4462 18.2171
113 3VC1 GST 0.00000005795 0.56814 18.6047
114 4M38 SAH 0.00002221 0.54602 18.6047
115 3VC1 SAH 0.00000005795 0.49707 18.6047
116 4QTU SAM 0.0000002668 0.64202 19.2308
117 2FK8 SAM 0.0000003287 0.63087 19.3798
118 4A6D SAM 0.00007517 0.5263 20.155
119 3DXY SAM 0.000004715 0.61714 20.1835
120 4OBW SAM 0.00007025 0.53277 20.6226
121 5DXA SFG 0.0000408 0.52427 20.9302
122 1VE3 SAM 0.000003595 0.59491 21.5859
123 4M73 M72 0.00008477 0.46494 21.7054
124 4PNE SAH 0.00000009431 0.42589 21.7054
125 4M73 SAH 0.00001387 0.41944 21.7054
126 5JE0 SAH 0.00001646 0.40293 21.8623
127 5JE0 AZ8 0.00001646 0.40293 21.8623
128 1IM8 SAI 0.0000001235 0.65059 22.541
129 5DLY 5D7 0.000095 0.40346 22.8682
130 5DLY SAH 0.00006631 0.40276 22.8682
131 5DM1 SAH 0.000006605 0.43312 23.6434
132 5DM1 5D7 0.000008427 0.43287 23.6434
133 5KOK S9T 0.000004619 0.42584 23.6434
134 5KOK R9T 0.00002269 0.4041 23.6434
135 2NXE SAM 0.00003761 0.54583 24.0157
136 3EGV SAH 0.00006216 0.54071 24.0157
137 1KPG SAH 0.0000001299 0.64267 29.4574
138 1TPY SAH 0.0000002468 0.4117 29.4574
139 1KPG 16A 0.02754 0.41054 29.4574
140 1L1E SAH 0.0000002852 0.40176 29.845
141 1KPH SAH 0.0000001637 0.41488 30.2326
142 5E8J SAH 0.000004583 0.61022 31.8182
143 3OU2 SAH 0.00004989 0.51173 32.5688
144 5GM1 SAH 0.0000000415 0.43456 37.2093
Pocket No.: 3; Query (leader) PDB : 4R6W; Ligand: PC; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 4r6w.bio2) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WHL MAN BMA BMA 0.01519 0.44767 2.71318
2 5MX4 HPA 0.04281 0.42044 3.00429
3 4K90 MLA 0.04204 0.4042 3.72093
4 3K8L CEY 0.0118 0.439 3.87597
5 5JJR 68E 0.007578 0.43081 3.87597
6 1S20 NAD 0.0294 0.40284 3.87597
7 4MPO AMP 0.02721 0.42046 5.22876
8 3KP6 SAL 0.0477 0.40439 5.96026
9 2CJF RP4 0.01512 0.4084 6.36943
10 3WY2 BGC 0.03364 0.40271 7.36434
11 2YVK MRU 0.04194 0.40073 7.75194
12 5KOK SAH 0.0000002671 0.40083 23.6434
Pocket No.: 4; Query (leader) PDB : 4R6W; Ligand: SAH; Similar sites found: 11
This union binding pocket(no: 4) in the query (biounit: 4r6w.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2F5X ASP 0.02889 0.41392 2.32558
2 2ZL4 ALA ALA ALA ALA 0.04922 0.40038 3.57143
3 4K90 MLA 0.02288 0.4042 3.72093
4 3L9W AMP 0.002578 0.40345 4.26357
5 4FLP JQ1 0.04708 0.40381 5.04202
6 1KNR FAD 0.005754 0.40052 5.42636
7 4DCM SAM 0.00006344 0.40093 6.58915
8 3VSE SAH 0.00001383 0.40594 6.97674
9 3WGT QSC 0.008731 0.40055 7.36434
10 5BR7 FAD 0.01326 0.40111 10.1781
11 1BC5 SAH 0.00051 0.40643 13.5659
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